USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -137:sc= 0.234 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.252 USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= 0.902 F(o=-1.6!,f=1.9) USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 0.96 USER MOD Set 3.1: A 40 SER OG : rot 95:sc= 1.41 USER MOD Set 3.2: A 52 ASN : amide:sc= 0.523 K(o=1.9,f=-4.1!) USER MOD Set 4.1: A 19 THR OG1 : rot -129:sc= 1.48 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.38 K(o=2.9,f=0.18) USER MOD Set 5.1: A 16 GLN : amide:sc= 0 X(o=-0.046,f=-0.046) USER MOD Set 5.2: A 17 CYS SG : rot 180:sc= -0.0455 USER MOD Set 6.1: A 1 GLY N :NH3+ -164:sc= 0.75 (180deg=0) USER MOD Set 6.2: A 96 THR OG1 : rot 84:sc= 1.95 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 1.09 (180deg=0.916) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -54:sc= 0.134 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.319 USER MOD Single : A 18 HIS : no HE2:sc= 0.115 K(o=0.12,f=-1.1) USER MOD Single : A 26 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 1.25 (180deg=1.1) USER MOD Single : A 33 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.0908 X(o=-0.091,f=-0.22) USER MOD Single : A 42 GLN : amide:sc= 0.761 K(o=0.76,f=-3.6!) USER MOD Single : A 46 TYR OH : rot -123:sc= 1.18 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc=-0.00323 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0.829 (180deg=0.425) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.645 (180deg=0.645) USER MOD Single : A 56 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.0037) USER MOD Single : A 62 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.894 (180deg=-0.896) USER MOD Single : A 65 SER OG : rot -102:sc= 2.2 USER MOD Single : A 69 THR OG1 : rot 65:sc= 0.0785 USER MOD Single : A 70 ASN : amide:sc= 0.0917 K(o=0.092,f=-3.5!) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 1.5 (180deg=0.44) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0258 (180deg=-0.23) USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= 2.04 (180deg=1.43) USER MOD Single : A 80 MET CE :methyl 164:sc= -0.309 (180deg=-0.694) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0.508 (180deg=0.348) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 97 TYR OH : rot 147:sc= 0.132 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0.34 (180deg=-1.17!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -31:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.691 -9.603 -0.367 1.00 0.00 N ATOM 85 CA GLY A 1 -14.563 -8.717 -1.139 1.00 0.00 C ATOM 86 C GLY A 1 -14.593 -9.097 -2.621 1.00 0.00 C ATOM 87 O GLY A 1 -15.023 -10.189 -2.990 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.898 -9.497 0.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.857 -10.589 -0.653 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.697 -9.353 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.574 -8.758 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.219 -7.688 -1.035 1.00 0.00 H new ATOM 91 N SER A 2 -14.116 -8.214 -3.503 1.00 0.00 N ATOM 92 CA SER A 2 -13.830 -8.576 -4.898 1.00 0.00 C ATOM 93 C SER A 2 -12.599 -7.867 -5.442 1.00 0.00 C ATOM 94 O SER A 2 -12.410 -6.670 -5.230 1.00 0.00 O ATOM 95 CB SER A 2 -15.023 -8.243 -5.790 1.00 0.00 C ATOM 96 OG SER A 2 -14.757 -8.620 -7.130 1.00 0.00 O ATOM 0 H SER A 2 -13.919 -7.239 -3.276 1.00 0.00 H new ATOM 0 HA SER A 2 -13.637 -9.649 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.911 -8.761 -5.429 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.235 -7.175 -5.741 1.00 0.00 H new ATOM 0 HG SER A 2 -15.531 -8.402 -7.691 1.00 0.00 H new ATOM 102 N ALA A 3 -11.812 -8.568 -6.266 1.00 0.00 N ATOM 103 CA ALA A 3 -10.685 -7.952 -6.963 1.00 0.00 C ATOM 104 C ALA A 3 -11.108 -6.759 -7.849 1.00 0.00 C ATOM 105 O ALA A 3 -10.354 -5.799 -7.985 1.00 0.00 O ATOM 106 CB ALA A 3 -9.938 -9.035 -7.754 1.00 0.00 C ATOM 0 H ALA A 3 -11.937 -9.561 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.010 -7.523 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.094 -8.586 -8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.573 -9.800 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.615 -9.489 -8.478 1.00 0.00 H new ATOM 112 N LYS A 4 -12.339 -6.752 -8.395 1.00 0.00 N ATOM 113 CA LYS A 4 -12.835 -5.624 -9.207 1.00 0.00 C ATOM 114 C LYS A 4 -13.428 -4.459 -8.407 1.00 0.00 C ATOM 115 O LYS A 4 -13.488 -3.343 -8.918 1.00 0.00 O ATOM 116 CB LYS A 4 -13.755 -6.136 -10.331 1.00 0.00 C ATOM 117 CG LYS A 4 -13.769 -5.170 -11.531 1.00 0.00 C ATOM 118 CD LYS A 4 -14.487 -5.762 -12.751 1.00 0.00 C ATOM 119 CE LYS A 4 -14.358 -4.795 -13.937 1.00 0.00 C ATOM 120 NZ LYS A 4 -15.023 -5.318 -15.157 1.00 0.00 N ATOM 0 H LYS A 4 -13.008 -7.514 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.959 -5.169 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.419 -7.120 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.768 -6.256 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.259 -4.241 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.744 -4.918 -11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.055 -6.729 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.538 -5.934 -12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.796 -3.833 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.303 -4.618 -14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.912 -4.635 -15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.589 -6.223 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.035 -5.463 -14.966 1.00 0.00 H new ATOM 134 N LYS A 5 -13.789 -4.682 -7.143 1.00 0.00 N ATOM 135 CA LYS A 5 -14.139 -3.614 -6.185 1.00 0.00 C ATOM 136 C LYS A 5 -12.898 -2.795 -5.846 1.00 0.00 C ATOM 137 O LYS A 5 -12.848 -1.606 -6.156 1.00 0.00 O ATOM 138 CB LYS A 5 -14.742 -4.187 -4.892 1.00 0.00 C ATOM 139 CG LYS A 5 -16.188 -4.697 -5.007 1.00 0.00 C ATOM 140 CD LYS A 5 -17.222 -3.811 -4.280 1.00 0.00 C ATOM 141 CE LYS A 5 -18.198 -4.650 -3.443 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.516 -5.263 -2.276 1.00 0.00 N ATOM 0 H LYS A 5 -13.850 -5.618 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.888 -2.978 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.112 -5.008 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.707 -3.416 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.457 -4.763 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.240 -5.707 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.704 -3.102 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.779 -3.226 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.019 -4.021 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.634 -5.432 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.173 -5.904 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.686 -5.799 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.210 -4.516 -1.621 1.00 0.00 H new ATOM 156 N GLY A 6 -11.884 -3.443 -5.264 1.00 0.00 N ATOM 157 CA GLY A 6 -10.639 -2.779 -4.878 1.00 0.00 C ATOM 158 C GLY A 6 -9.918 -2.096 -6.046 1.00 0.00 C ATOM 159 O GLY A 6 -9.364 -1.018 -5.863 1.00 0.00 O ATOM 0 H GLY A 6 -11.905 -4.440 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.857 -2.035 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.970 -3.513 -4.429 1.00 0.00 H new ATOM 163 N ALA A 7 -10.007 -2.640 -7.266 1.00 0.00 N ATOM 164 CA ALA A 7 -9.533 -1.960 -8.475 1.00 0.00 C ATOM 165 C ALA A 7 -10.195 -0.579 -8.660 1.00 0.00 C ATOM 166 O ALA A 7 -9.514 0.434 -8.830 1.00 0.00 O ATOM 167 CB ALA A 7 -9.801 -2.851 -9.695 1.00 0.00 C ATOM 0 H ALA A 7 -10.409 -3.561 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.462 -1.787 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.450 -2.349 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.273 -3.797 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.871 -3.041 -9.779 1.00 0.00 H new ATOM 173 N THR A 8 -11.533 -0.535 -8.625 1.00 0.00 N ATOM 174 CA THR A 8 -12.324 0.700 -8.762 1.00 0.00 C ATOM 175 C THR A 8 -12.058 1.704 -7.629 1.00 0.00 C ATOM 176 O THR A 8 -12.126 2.911 -7.861 1.00 0.00 O ATOM 177 CB THR A 8 -13.823 0.354 -8.924 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.309 0.914 -10.123 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.771 0.800 -7.810 1.00 0.00 C ATOM 0 H THR A 8 -12.108 -1.368 -8.499 1.00 0.00 H new ATOM 0 HA THR A 8 -12.000 1.211 -9.669 1.00 0.00 H new ATOM 0 HB THR A 8 -13.828 -0.736 -8.903 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.258 0.693 -10.226 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.788 0.493 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.468 0.341 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.733 1.885 -7.713 1.00 0.00 H new ATOM 187 N LEU A 9 -11.697 1.222 -6.434 1.00 0.00 N ATOM 188 CA LEU A 9 -11.297 2.038 -5.287 1.00 0.00 C ATOM 189 C LEU A 9 -9.885 2.587 -5.503 1.00 0.00 C ATOM 190 O LEU A 9 -9.715 3.789 -5.648 1.00 0.00 O ATOM 191 CB LEU A 9 -11.383 1.218 -3.991 1.00 0.00 C ATOM 192 CG LEU A 9 -12.825 1.034 -3.504 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.903 -0.136 -2.520 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.363 2.293 -2.819 1.00 0.00 C ATOM 0 H LEU A 9 -11.675 0.222 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.980 2.882 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.931 0.240 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.801 1.713 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.437 0.831 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.932 -0.258 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.573 -1.050 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.260 0.065 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.387 2.119 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.740 2.532 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.345 3.126 -3.522 1.00 0.00 H new ATOM 206 N PHE A 10 -8.888 1.702 -5.591 1.00 0.00 N ATOM 207 CA PHE A 10 -7.457 1.976 -5.812 1.00 0.00 C ATOM 208 C PHE A 10 -7.215 3.083 -6.846 1.00 0.00 C ATOM 209 O PHE A 10 -6.458 4.025 -6.590 1.00 0.00 O ATOM 210 CB PHE A 10 -6.771 0.662 -6.230 1.00 0.00 C ATOM 211 CG PHE A 10 -5.293 0.768 -6.567 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.341 0.768 -5.533 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.858 0.804 -7.907 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.973 0.885 -5.828 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.480 0.864 -8.199 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.539 0.934 -7.160 1.00 0.00 C ATOM 0 H PHE A 10 -9.068 0.702 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.027 2.347 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.890 -0.061 -5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.295 0.260 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.663 0.678 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.580 0.786 -8.710 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.252 0.937 -5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.147 0.856 -9.226 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.487 1.025 -7.385 1.00 0.00 H new ATOM 226 N LYS A 11 -7.947 3.008 -7.967 1.00 0.00 N ATOM 227 CA LYS A 11 -7.992 3.983 -9.071 1.00 0.00 C ATOM 228 C LYS A 11 -8.207 5.441 -8.625 1.00 0.00 C ATOM 229 O LYS A 11 -7.615 6.342 -9.205 1.00 0.00 O ATOM 230 CB LYS A 11 -9.097 3.504 -10.025 1.00 0.00 C ATOM 231 CG LYS A 11 -9.311 4.392 -11.258 1.00 0.00 C ATOM 232 CD LYS A 11 -10.443 3.805 -12.108 1.00 0.00 C ATOM 233 CE LYS A 11 -10.768 4.742 -13.276 1.00 0.00 C ATOM 234 NZ LYS A 11 -11.946 4.259 -14.038 1.00 0.00 N ATOM 0 H LYS A 11 -8.564 2.214 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.019 4.014 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.857 2.494 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.034 3.443 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.559 5.408 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.393 4.451 -11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.152 2.826 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.331 3.657 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.963 5.746 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.906 4.813 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.143 4.912 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.749 3.311 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.772 4.215 -13.408 1.00 0.00 H new ATOM 248 N THR A 12 -9.028 5.657 -7.597 1.00 0.00 N ATOM 249 CA THR A 12 -9.374 6.951 -6.975 1.00 0.00 C ATOM 250 C THR A 12 -9.215 6.915 -5.436 1.00 0.00 C ATOM 251 O THR A 12 -10.029 7.417 -4.655 1.00 0.00 O ATOM 252 CB THR A 12 -10.744 7.426 -7.492 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.015 8.729 -7.049 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.929 6.532 -7.128 1.00 0.00 C ATOM 0 H THR A 12 -9.507 4.882 -7.139 1.00 0.00 H new ATOM 0 HA THR A 12 -8.659 7.715 -7.282 1.00 0.00 H new ATOM 0 HB THR A 12 -10.648 7.383 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.937 8.765 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.845 6.956 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.773 5.535 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.015 6.466 -6.043 1.00 0.00 H new ATOM 262 N ARG A 13 -8.129 6.271 -4.984 1.00 0.00 N ATOM 263 CA ARG A 13 -7.624 6.278 -3.595 1.00 0.00 C ATOM 264 C ARG A 13 -6.097 6.336 -3.528 1.00 0.00 C ATOM 265 O ARG A 13 -5.553 7.051 -2.700 1.00 0.00 O ATOM 266 CB ARG A 13 -8.097 5.019 -2.839 1.00 0.00 C ATOM 267 CG ARG A 13 -9.608 4.867 -2.626 1.00 0.00 C ATOM 268 CD ARG A 13 -10.216 5.905 -1.684 1.00 0.00 C ATOM 269 NE ARG A 13 -11.647 5.623 -1.484 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.650 5.975 -2.265 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.478 6.692 -3.342 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.858 5.596 -1.964 1.00 0.00 N ATOM 0 H ARG A 13 -7.549 5.704 -5.602 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.026 7.177 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.741 4.143 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.613 5.008 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.108 4.933 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.809 3.872 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.696 5.888 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.088 6.905 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.891 5.095 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.542 7.000 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.280 6.944 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.023 5.032 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.640 5.863 -2.562 1.00 0.00 H new ATOM 286 N CYS A 14 -5.422 5.575 -4.391 1.00 0.00 N ATOM 287 CA CYS A 14 -4.003 5.233 -4.279 1.00 0.00 C ATOM 288 C CYS A 14 -3.242 5.532 -5.574 1.00 0.00 C ATOM 289 O CYS A 14 -2.138 6.080 -5.544 1.00 0.00 O ATOM 290 CB CYS A 14 -3.865 3.734 -3.976 1.00 0.00 C ATOM 291 SG CYS A 14 -5.118 2.949 -2.909 1.00 0.00 S ATOM 0 H CYS A 14 -5.863 5.166 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.580 5.838 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.858 3.202 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.890 3.576 -3.515 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.839 1.687 -2.768 1.00 0.00 H new ATOM 296 N LEU A 15 -3.836 5.197 -6.729 1.00 0.00 N ATOM 297 CA LEU A 15 -3.222 5.266 -8.056 1.00 0.00 C ATOM 298 C LEU A 15 -2.790 6.687 -8.461 1.00 0.00 C ATOM 299 O LEU A 15 -1.846 6.841 -9.232 1.00 0.00 O ATOM 300 CB LEU A 15 -4.177 4.599 -9.062 1.00 0.00 C ATOM 301 CG LEU A 15 -3.639 4.524 -10.506 1.00 0.00 C ATOM 302 CD1 LEU A 15 -4.025 3.212 -11.185 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.220 5.651 -11.369 1.00 0.00 C ATOM 0 H LEU A 15 -4.797 4.857 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.280 4.717 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.398 3.589 -8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.119 5.147 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.555 4.608 -10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.628 3.197 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.612 2.375 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.111 3.126 -11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.824 5.575 -12.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.306 5.565 -11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.943 6.615 -10.943 1.00 0.00 H new ATOM 315 N GLN A 16 -3.360 7.730 -7.850 1.00 0.00 N ATOM 316 CA GLN A 16 -2.833 9.096 -7.933 1.00 0.00 C ATOM 317 C GLN A 16 -1.334 9.180 -7.579 1.00 0.00 C ATOM 318 O GLN A 16 -0.570 9.816 -8.303 1.00 0.00 O ATOM 319 CB GLN A 16 -3.685 10.053 -7.082 1.00 0.00 C ATOM 320 CG GLN A 16 -3.821 9.670 -5.598 1.00 0.00 C ATOM 321 CD GLN A 16 -4.538 10.770 -4.824 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.751 10.872 -4.830 1.00 0.00 O ATOM 323 NE2 GLN A 16 -3.823 11.635 -4.140 1.00 0.00 N ATOM 0 H GLN A 16 -4.203 7.651 -7.282 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.906 9.412 -8.974 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.252 11.051 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.682 10.110 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.373 8.735 -5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.834 9.500 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.806 11.559 -4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.285 12.382 -3.621 1.00 0.00 H new ATOM 332 N CYS A 17 -0.879 8.469 -6.541 1.00 0.00 N ATOM 333 CA CYS A 17 0.495 8.536 -6.033 1.00 0.00 C ATOM 334 C CYS A 17 1.345 7.323 -6.435 1.00 0.00 C ATOM 335 O CYS A 17 2.564 7.445 -6.558 1.00 0.00 O ATOM 336 CB CYS A 17 0.462 8.642 -4.503 1.00 0.00 C ATOM 337 SG CYS A 17 -0.337 10.137 -3.833 1.00 0.00 S ATOM 0 H CYS A 17 -1.468 7.818 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 17 0.959 9.416 -6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.055 7.768 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.486 8.602 -4.132 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.301 10.103 -2.534 1.00 0.00 H new ATOM 342 N HIS A 18 0.712 6.171 -6.674 1.00 0.00 N ATOM 343 CA HIS A 18 1.344 4.869 -6.899 1.00 0.00 C ATOM 344 C HIS A 18 1.214 4.354 -8.339 1.00 0.00 C ATOM 345 O HIS A 18 0.576 4.974 -9.190 1.00 0.00 O ATOM 346 CB HIS A 18 0.702 3.874 -5.917 1.00 0.00 C ATOM 347 CG HIS A 18 1.252 3.989 -4.527 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.550 3.716 -4.159 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.553 4.334 -3.403 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.630 3.894 -2.833 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.437 4.267 -2.328 1.00 0.00 N ATOM 0 H HIS A 18 -0.306 6.119 -6.718 1.00 0.00 H new ATOM 0 HA HIS A 18 2.416 4.976 -6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.375 4.040 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.859 2.859 -6.282 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.308 3.432 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.491 4.608 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.528 3.757 -2.249 1.00 0.00 H new ATOM 359 N THR A 19 1.811 3.188 -8.569 1.00 0.00 N ATOM 360 CA THR A 19 1.539 2.220 -9.643 1.00 0.00 C ATOM 361 C THR A 19 1.532 0.804 -9.037 1.00 0.00 C ATOM 362 O THR A 19 1.900 0.637 -7.870 1.00 0.00 O ATOM 363 CB THR A 19 2.571 2.349 -10.765 1.00 0.00 C ATOM 364 OG1 THR A 19 3.884 2.309 -10.241 1.00 0.00 O ATOM 365 CG2 THR A 19 2.437 3.660 -11.540 1.00 0.00 C ATOM 0 H THR A 19 2.562 2.863 -7.961 1.00 0.00 H new ATOM 0 HA THR A 19 0.564 2.422 -10.088 1.00 0.00 H new ATOM 0 HB THR A 19 2.384 1.511 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.395 3.074 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.194 3.698 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.446 3.717 -11.990 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.576 4.500 -10.860 1.00 0.00 H new ATOM 373 N VAL A 20 1.071 -0.209 -9.769 1.00 0.00 N ATOM 374 CA VAL A 20 1.084 -1.629 -9.351 1.00 0.00 C ATOM 375 C VAL A 20 1.293 -2.615 -10.509 1.00 0.00 C ATOM 376 O VAL A 20 1.843 -3.692 -10.313 1.00 0.00 O ATOM 377 CB VAL A 20 -0.183 -1.960 -8.541 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.454 -2.044 -9.393 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.008 -3.252 -7.744 1.00 0.00 C ATOM 0 H VAL A 20 0.666 -0.072 -10.695 1.00 0.00 H new ATOM 0 HA VAL A 20 1.957 -1.757 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.315 -1.122 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.305 -2.280 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.625 -1.087 -9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.337 -2.824 -10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.919 -3.459 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.192 -4.077 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.827 -3.143 -7.053 1.00 0.00 H new ATOM 389 N GLU A 21 0.958 -2.236 -11.739 1.00 0.00 N ATOM 390 CA GLU A 21 1.482 -2.872 -12.953 1.00 0.00 C ATOM 391 C GLU A 21 3.019 -2.814 -12.988 1.00 0.00 C ATOM 392 O GLU A 21 3.598 -1.771 -12.690 1.00 0.00 O ATOM 393 CB GLU A 21 0.943 -2.209 -14.243 1.00 0.00 C ATOM 394 CG GLU A 21 -0.130 -1.098 -14.145 1.00 0.00 C ATOM 395 CD GLU A 21 0.311 0.179 -13.398 1.00 0.00 C ATOM 396 OE1 GLU A 21 1.074 0.996 -13.951 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.086 0.318 -12.216 1.00 0.00 O ATOM 0 H GLU A 21 0.309 -1.472 -11.927 1.00 0.00 H new ATOM 0 HA GLU A 21 1.144 -3.908 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.797 -1.790 -14.775 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.534 -3.002 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.437 -0.822 -15.154 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.008 -1.507 -13.645 1.00 0.00 H new ATOM 440 N PRO A 25 5.856 3.184 -13.610 1.00 0.00 N ATOM 441 CA PRO A 25 7.014 3.822 -12.993 1.00 0.00 C ATOM 442 C PRO A 25 6.761 4.145 -11.515 1.00 0.00 C ATOM 443 O PRO A 25 5.629 4.410 -11.094 1.00 0.00 O ATOM 444 CB PRO A 25 7.276 5.080 -13.830 1.00 0.00 C ATOM 445 CG PRO A 25 5.903 5.419 -14.406 1.00 0.00 C ATOM 446 CD PRO A 25 5.276 4.044 -14.631 1.00 0.00 C ATOM 0 HA PRO A 25 7.885 3.166 -12.987 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.667 5.894 -13.219 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.006 4.893 -14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.314 6.023 -13.716 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.983 5.983 -15.335 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.191 4.087 -14.539 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.496 3.670 -15.631 1.00 0.00 H new ATOM 454 N HIS A 26 7.839 4.174 -10.728 1.00 0.00 N ATOM 455 CA HIS A 26 7.853 4.830 -9.422 1.00 0.00 C ATOM 456 C HIS A 26 7.520 6.318 -9.602 1.00 0.00 C ATOM 457 O HIS A 26 8.028 6.966 -10.517 1.00 0.00 O ATOM 458 CB HIS A 26 9.233 4.680 -8.768 1.00 0.00 C ATOM 459 CG HIS A 26 9.744 3.271 -8.583 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.995 2.123 -8.434 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.059 2.917 -8.456 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.842 1.106 -8.189 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.098 1.555 -8.176 1.00 0.00 N ATOM 0 H HIS A 26 8.728 3.742 -10.981 1.00 0.00 H new ATOM 0 HA HIS A 26 7.109 4.363 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.957 5.229 -9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.201 5.162 -7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.910 3.574 -8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.548 0.079 -8.027 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.935 1.001 -7.994 1.00 0.00 H new ATOM 471 N LYS A 27 6.660 6.851 -8.732 1.00 0.00 N ATOM 472 CA LYS A 27 6.052 8.185 -8.834 1.00 0.00 C ATOM 473 C LYS A 27 6.214 8.937 -7.499 1.00 0.00 C ATOM 474 O LYS A 27 7.336 9.032 -7.005 1.00 0.00 O ATOM 475 CB LYS A 27 4.624 7.952 -9.372 1.00 0.00 C ATOM 476 CG LYS A 27 3.876 9.196 -9.886 1.00 0.00 C ATOM 477 CD LYS A 27 2.603 8.809 -10.660 1.00 0.00 C ATOM 478 CE LYS A 27 1.615 8.033 -9.781 1.00 0.00 C ATOM 479 NZ LYS A 27 0.398 7.638 -10.522 1.00 0.00 N ATOM 0 H LYS A 27 6.353 6.346 -7.901 1.00 0.00 H new ATOM 0 HA LYS A 27 6.536 8.865 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.679 7.226 -10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.029 7.499 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.611 9.836 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.534 9.776 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.121 9.710 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.874 8.203 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.104 7.142 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.334 8.646 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.426 7.693 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.259 8.279 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.504 6.663 -10.869 1.00 0.00 H new ATOM 493 N VAL A 28 5.126 9.451 -6.917 1.00 0.00 N ATOM 494 CA VAL A 28 5.088 10.001 -5.546 1.00 0.00 C ATOM 495 C VAL A 28 5.477 8.921 -4.533 1.00 0.00 C ATOM 496 O VAL A 28 6.273 9.179 -3.638 1.00 0.00 O ATOM 497 CB VAL A 28 3.695 10.567 -5.206 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.617 11.129 -3.780 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.279 11.686 -6.169 1.00 0.00 C ATOM 0 H VAL A 28 4.224 9.500 -7.391 1.00 0.00 H new ATOM 0 HA VAL A 28 5.806 10.819 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 28 3.018 9.718 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.614 11.514 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.840 10.338 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.342 11.935 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.292 12.056 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.000 12.501 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.249 11.298 -7.187 1.00 0.00 H new ATOM 509 N GLY A 29 4.949 7.705 -4.714 1.00 0.00 N ATOM 510 CA GLY A 29 5.410 6.479 -4.066 1.00 0.00 C ATOM 511 C GLY A 29 5.871 5.415 -5.080 1.00 0.00 C ATOM 512 O GLY A 29 5.804 5.642 -6.296 1.00 0.00 O ATOM 0 H GLY A 29 4.160 7.546 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.233 6.715 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.605 6.070 -3.455 1.00 0.00 H new ATOM 516 N PRO A 30 6.336 4.252 -4.595 1.00 0.00 N ATOM 517 CA PRO A 30 6.915 3.186 -5.411 1.00 0.00 C ATOM 518 C PRO A 30 5.874 2.386 -6.215 1.00 0.00 C ATOM 519 O PRO A 30 4.665 2.618 -6.141 1.00 0.00 O ATOM 520 CB PRO A 30 7.658 2.298 -4.409 1.00 0.00 C ATOM 521 CG PRO A 30 6.858 2.454 -3.123 1.00 0.00 C ATOM 522 CD PRO A 30 6.424 3.911 -3.183 1.00 0.00 C ATOM 0 HA PRO A 30 7.569 3.598 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.686 1.260 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.691 2.620 -4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.004 1.777 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.463 2.246 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.463 4.051 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.142 4.552 -2.672 1.00 0.00 H new ATOM 530 N ASN A 31 6.369 1.415 -6.988 1.00 0.00 N ATOM 531 CA ASN A 31 5.566 0.417 -7.698 1.00 0.00 C ATOM 532 C ASN A 31 5.150 -0.705 -6.725 1.00 0.00 C ATOM 533 O ASN A 31 5.997 -1.322 -6.085 1.00 0.00 O ATOM 534 CB ASN A 31 6.386 -0.116 -8.891 1.00 0.00 C ATOM 535 CG ASN A 31 5.590 -1.030 -9.801 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.932 -2.170 -10.046 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.487 -0.557 -10.319 1.00 0.00 N ATOM 0 H ASN A 31 7.371 1.299 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 31 4.649 0.860 -8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.761 0.727 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.255 -0.656 -8.514 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.916 -1.144 -10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.197 0.399 -10.115 1.00 0.00 H new ATOM 544 N LEU A 32 3.847 -0.952 -6.563 1.00 0.00 N ATOM 545 CA LEU A 32 3.311 -1.880 -5.555 1.00 0.00 C ATOM 546 C LEU A 32 3.252 -3.348 -6.033 1.00 0.00 C ATOM 547 O LEU A 32 2.695 -4.200 -5.354 1.00 0.00 O ATOM 548 CB LEU A 32 1.937 -1.368 -5.070 1.00 0.00 C ATOM 549 CG LEU A 32 1.955 -0.026 -4.312 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.516 0.405 -4.024 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.709 -0.107 -2.979 1.00 0.00 C ATOM 0 H LEU A 32 3.125 -0.510 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 32 4.006 -1.895 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.281 -1.267 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.496 -2.125 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 32 2.472 0.694 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.521 1.354 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.024 0.522 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.024 -0.353 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.689 0.867 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.232 -0.846 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.743 -0.399 -3.163 1.00 0.00 H new ATOM 563 N HIS A 33 3.836 -3.676 -7.184 1.00 0.00 N ATOM 564 CA HIS A 33 3.787 -4.980 -7.865 1.00 0.00 C ATOM 565 C HIS A 33 4.236 -6.225 -7.063 1.00 0.00 C ATOM 566 O HIS A 33 3.916 -7.352 -7.428 1.00 0.00 O ATOM 567 CB HIS A 33 4.669 -4.794 -9.105 1.00 0.00 C ATOM 568 CG HIS A 33 5.053 -6.054 -9.810 1.00 0.00 C ATOM 569 ND1 HIS A 33 4.214 -6.983 -10.373 1.00 0.00 N ATOM 570 CD2 HIS A 33 6.319 -6.550 -9.838 1.00 0.00 C ATOM 571 CE1 HIS A 33 4.973 -8.026 -10.745 1.00 0.00 C ATOM 572 NE2 HIS A 33 6.274 -7.798 -10.465 1.00 0.00 N ATOM 0 H HIS A 33 4.393 -2.998 -7.704 1.00 0.00 H new ATOM 0 HA HIS A 33 2.742 -5.216 -8.065 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.145 -4.148 -9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.578 -4.271 -8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.201 -6.066 -9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.594 -8.926 -11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.063 -8.411 -10.669 1.00 0.00 H new ATOM 580 N GLY A 34 4.979 -6.046 -5.978 1.00 0.00 N ATOM 581 CA GLY A 34 5.677 -7.140 -5.282 1.00 0.00 C ATOM 582 C GLY A 34 5.939 -6.916 -3.792 1.00 0.00 C ATOM 583 O GLY A 34 6.956 -7.380 -3.276 1.00 0.00 O ATOM 0 H GLY A 34 5.121 -5.133 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.090 -8.052 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.632 -7.311 -5.779 1.00 0.00 H new ATOM 587 N ILE A 35 5.082 -6.150 -3.105 1.00 0.00 N ATOM 588 CA ILE A 35 5.266 -5.836 -1.683 1.00 0.00 C ATOM 589 C ILE A 35 4.972 -7.009 -0.735 1.00 0.00 C ATOM 590 O ILE A 35 5.620 -7.102 0.300 1.00 0.00 O ATOM 591 CB ILE A 35 4.497 -4.565 -1.260 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.978 -4.726 -1.047 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.809 -3.378 -2.181 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.119 -5.011 -2.280 1.00 0.00 C ATOM 0 H ILE A 35 4.247 -5.733 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 35 6.332 -5.634 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 35 4.882 -4.357 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.822 -5.536 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.605 -3.814 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.249 -2.504 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.876 -3.160 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.524 -3.626 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.074 -5.100 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.225 -4.194 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.445 -5.942 -2.743 1.00 0.00 H new ATOM 606 N PHE A 36 4.005 -7.885 -1.037 1.00 0.00 N ATOM 607 CA PHE A 36 3.549 -8.953 -0.141 1.00 0.00 C ATOM 608 C PHE A 36 4.662 -9.955 0.206 1.00 0.00 C ATOM 609 O PHE A 36 5.308 -10.549 -0.657 1.00 0.00 O ATOM 610 CB PHE A 36 2.297 -9.645 -0.707 1.00 0.00 C ATOM 611 CG PHE A 36 1.025 -8.841 -0.483 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.509 -8.703 0.821 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.377 -8.196 -1.554 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.609 -7.888 1.064 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.746 -7.384 -1.312 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.233 -7.219 -0.003 1.00 0.00 C ATOM 0 H PHE A 36 3.509 -7.870 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 36 3.272 -8.485 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.432 -9.812 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.188 -10.625 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.977 -9.228 1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.742 -8.325 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.988 -7.776 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.236 -6.885 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.084 -6.580 0.182 1.00 0.00 H new ATOM 626 N GLY A 37 4.895 -10.110 1.510 1.00 0.00 N ATOM 627 CA GLY A 37 5.980 -10.918 2.075 1.00 0.00 C ATOM 628 C GLY A 37 7.333 -10.198 2.111 1.00 0.00 C ATOM 629 O GLY A 37 8.298 -10.709 2.682 1.00 0.00 O ATOM 0 H GLY A 37 4.318 -9.665 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.710 -11.215 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.081 -11.833 1.491 1.00 0.00 H new ATOM 633 N ARG A 38 7.431 -8.995 1.535 1.00 0.00 N ATOM 634 CA ARG A 38 8.566 -8.087 1.715 1.00 0.00 C ATOM 635 C ARG A 38 8.416 -7.310 3.020 1.00 0.00 C ATOM 636 O ARG A 38 7.361 -7.279 3.650 1.00 0.00 O ATOM 637 CB ARG A 38 8.659 -7.129 0.504 1.00 0.00 C ATOM 638 CG ARG A 38 10.090 -6.815 0.062 1.00 0.00 C ATOM 639 CD ARG A 38 10.702 -8.007 -0.680 1.00 0.00 C ATOM 640 NE ARG A 38 12.163 -7.868 -0.781 1.00 0.00 N ATOM 641 CZ ARG A 38 13.011 -8.702 -1.345 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.610 -9.764 -1.987 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.286 -8.476 -1.227 1.00 0.00 N ATOM 0 H ARG A 38 6.710 -8.619 0.919 1.00 0.00 H new ATOM 0 HA ARG A 38 9.489 -8.664 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.120 -7.568 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.155 -6.196 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.092 -5.938 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.699 -6.570 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.456 -8.931 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.270 -8.080 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 38 12.566 -7.028 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.614 -9.968 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.293 -10.391 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.614 -7.664 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.958 -9.111 -1.657 1.00 0.00 H new ATOM 657 N HIS A 39 9.498 -6.643 3.391 1.00 0.00 N ATOM 658 CA HIS A 39 9.508 -5.632 4.439 1.00 0.00 C ATOM 659 C HIS A 39 9.525 -4.249 3.776 1.00 0.00 C ATOM 660 O HIS A 39 10.069 -4.111 2.676 1.00 0.00 O ATOM 661 CB HIS A 39 10.717 -5.864 5.345 1.00 0.00 C ATOM 662 CG HIS A 39 10.579 -7.107 6.186 1.00 0.00 C ATOM 663 ND1 HIS A 39 10.510 -8.410 5.737 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.441 -7.134 7.544 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.355 -9.205 6.809 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.316 -8.470 7.928 1.00 0.00 N ATOM 0 H HIS A 39 10.412 -6.792 2.964 1.00 0.00 H new ATOM 0 HA HIS A 39 8.618 -5.694 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.616 -5.941 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.849 -5.001 5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.430 -6.277 8.202 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.274 -10.281 6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.214 -8.820 8.881 1.00 0.00 H new ATOM 674 N SER A 40 8.930 -3.245 4.422 1.00 0.00 N ATOM 675 CA SER A 40 8.766 -1.906 3.861 1.00 0.00 C ATOM 676 C SER A 40 10.097 -1.262 3.492 1.00 0.00 C ATOM 677 O SER A 40 11.102 -1.460 4.182 1.00 0.00 O ATOM 678 CB SER A 40 7.945 -1.015 4.801 1.00 0.00 C ATOM 679 OG SER A 40 8.662 -0.639 5.965 1.00 0.00 O ATOM 0 H SER A 40 8.544 -3.342 5.361 1.00 0.00 H new ATOM 0 HA SER A 40 8.210 -2.014 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.634 -0.118 4.265 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.037 -1.542 5.093 1.00 0.00 H new ATOM 0 HG SER A 40 9.074 0.239 5.826 1.00 0.00 H new ATOM 685 N GLY A 41 10.094 -0.496 2.401 1.00 0.00 N ATOM 686 CA GLY A 41 11.286 0.174 1.873 1.00 0.00 C ATOM 687 C GLY A 41 12.074 -0.578 0.785 1.00 0.00 C ATOM 688 O GLY A 41 13.296 -0.447 0.764 1.00 0.00 O ATOM 0 H GLY A 41 9.253 -0.320 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.983 1.140 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.961 0.375 2.705 1.00 0.00 H new ATOM 692 N GLN A 42 11.440 -1.418 -0.051 1.00 0.00 N ATOM 693 CA GLN A 42 12.137 -2.403 -0.909 1.00 0.00 C ATOM 694 C GLN A 42 11.676 -2.537 -2.380 1.00 0.00 C ATOM 695 O GLN A 42 12.019 -3.531 -3.026 1.00 0.00 O ATOM 696 CB GLN A 42 12.141 -3.767 -0.193 1.00 0.00 C ATOM 697 CG GLN A 42 13.050 -3.732 1.038 1.00 0.00 C ATOM 698 CD GLN A 42 13.353 -5.112 1.604 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.576 -6.104 0.907 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.395 -5.219 2.911 1.00 0.00 N ATOM 0 H GLN A 42 10.425 -1.436 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 42 13.142 -2.000 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.126 -4.029 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.481 -4.542 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.987 -3.241 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.579 -3.125 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.212 -4.403 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.611 -6.118 3.342 1.00 0.00 H new ATOM 741 N TYR A 46 14.334 2.575 -5.131 1.00 0.00 N ATOM 742 CA TYR A 46 13.701 3.841 -4.726 1.00 0.00 C ATOM 743 C TYR A 46 13.935 4.193 -3.239 1.00 0.00 C ATOM 744 O TYR A 46 14.059 3.317 -2.383 1.00 0.00 O ATOM 745 CB TYR A 46 12.233 3.790 -5.166 1.00 0.00 C ATOM 746 CG TYR A 46 11.538 5.139 -5.205 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.955 5.633 -4.033 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.465 5.896 -6.394 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.245 6.850 -4.051 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.750 7.112 -6.419 1.00 0.00 C ATOM 751 CZ TYR A 46 10.119 7.584 -5.246 1.00 0.00 C ATOM 752 OH TYR A 46 9.411 8.745 -5.252 1.00 0.00 O ATOM 0 HA TYR A 46 14.176 4.682 -5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.180 3.340 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.687 3.134 -4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.050 5.079 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.958 5.543 -7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.795 7.222 -3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.685 7.682 -7.334 1.00 0.00 H new ATOM 0 HH TYR A 46 8.696 8.689 -5.920 1.00 0.00 H new ATOM 762 N SER A 47 14.030 5.493 -2.925 1.00 0.00 N ATOM 763 CA SER A 47 14.549 6.013 -1.643 1.00 0.00 C ATOM 764 C SER A 47 13.454 6.582 -0.738 1.00 0.00 C ATOM 765 O SER A 47 12.934 7.667 -1.001 1.00 0.00 O ATOM 766 CB SER A 47 15.612 7.092 -1.888 1.00 0.00 C ATOM 767 OG SER A 47 16.817 6.501 -2.321 1.00 0.00 O ATOM 0 H SER A 47 13.743 6.232 -3.567 1.00 0.00 H new ATOM 0 HA SER A 47 14.990 5.159 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.256 7.800 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.785 7.657 -0.972 1.00 0.00 H new ATOM 0 HG SER A 47 17.487 7.199 -2.476 1.00 0.00 H new ATOM 773 N TYR A 48 13.118 5.862 0.338 1.00 0.00 N ATOM 774 CA TYR A 48 11.943 6.081 1.186 1.00 0.00 C ATOM 775 C TYR A 48 12.076 7.232 2.218 1.00 0.00 C ATOM 776 O TYR A 48 12.007 8.408 1.865 1.00 0.00 O ATOM 777 CB TYR A 48 11.558 4.730 1.821 1.00 0.00 C ATOM 778 CG TYR A 48 11.009 3.706 0.843 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.838 3.061 -0.098 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.644 3.371 0.903 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.300 2.110 -0.987 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.116 2.389 0.049 1.00 0.00 C ATOM 783 CZ TYR A 48 9.946 1.754 -0.899 1.00 0.00 C ATOM 784 OH TYR A 48 9.474 0.766 -1.695 1.00 0.00 O ATOM 0 H TYR A 48 13.684 5.075 0.655 1.00 0.00 H new ATOM 0 HA TYR A 48 11.133 6.442 0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.436 4.310 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.814 4.907 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.891 3.297 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.999 3.872 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.930 1.655 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.072 2.119 0.118 1.00 0.00 H new ATOM 0 HH TYR A 48 8.601 0.467 -1.363 1.00 0.00 H new ATOM 794 N THR A 49 12.241 6.916 3.504 1.00 0.00 N ATOM 795 CA THR A 49 12.448 7.815 4.654 1.00 0.00 C ATOM 796 C THR A 49 13.197 7.031 5.722 1.00 0.00 C ATOM 797 O THR A 49 13.028 5.813 5.797 1.00 0.00 O ATOM 798 CB THR A 49 11.128 8.276 5.309 1.00 0.00 C ATOM 799 OG1 THR A 49 10.168 7.243 5.323 1.00 0.00 O ATOM 800 CG2 THR A 49 10.479 9.459 4.608 1.00 0.00 C ATOM 0 H THR A 49 12.233 5.940 3.799 1.00 0.00 H new ATOM 0 HA THR A 49 12.982 8.692 4.287 1.00 0.00 H new ATOM 0 HB THR A 49 11.419 8.568 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.345 7.567 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.557 9.726 5.124 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.162 10.309 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.253 9.191 3.576 1.00 0.00 H new ATOM 808 N ASP A 50 13.953 7.702 6.595 1.00 0.00 N ATOM 809 CA ASP A 50 14.563 7.010 7.739 1.00 0.00 C ATOM 810 C ASP A 50 13.512 6.317 8.630 1.00 0.00 C ATOM 811 O ASP A 50 13.671 5.150 8.973 1.00 0.00 O ATOM 812 CB ASP A 50 15.412 7.994 8.537 1.00 0.00 C ATOM 813 CG ASP A 50 16.108 7.248 9.666 1.00 0.00 C ATOM 814 OD1 ASP A 50 17.081 6.506 9.400 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.676 7.384 10.831 1.00 0.00 O ATOM 0 H ASP A 50 14.156 8.700 6.537 1.00 0.00 H new ATOM 0 HA ASP A 50 15.205 6.217 7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.149 8.467 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.786 8.789 8.941 1.00 0.00 H new ATOM 820 N ALA A 51 12.397 7.005 8.907 1.00 0.00 N ATOM 821 CA ALA A 51 11.253 6.480 9.651 1.00 0.00 C ATOM 822 C ALA A 51 10.712 5.155 9.083 1.00 0.00 C ATOM 823 O ALA A 51 10.528 4.210 9.844 1.00 0.00 O ATOM 824 CB ALA A 51 10.164 7.559 9.706 1.00 0.00 C ATOM 0 H ALA A 51 12.266 7.972 8.609 1.00 0.00 H new ATOM 0 HA ALA A 51 11.587 6.238 10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.304 7.180 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.555 8.445 10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.858 7.819 8.693 1.00 0.00 H new ATOM 830 N ASN A 52 10.472 5.057 7.766 1.00 0.00 N ATOM 831 CA ASN A 52 10.005 3.818 7.125 1.00 0.00 C ATOM 832 C ASN A 52 11.029 2.685 7.279 1.00 0.00 C ATOM 833 O ASN A 52 10.691 1.582 7.711 1.00 0.00 O ATOM 834 CB ASN A 52 9.688 4.119 5.647 1.00 0.00 C ATOM 835 CG ASN A 52 9.111 2.940 4.874 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.536 1.801 4.979 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.112 3.181 4.053 1.00 0.00 N ATOM 0 H ASN A 52 10.596 5.834 7.116 1.00 0.00 H new ATOM 0 HA ASN A 52 9.097 3.469 7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.982 4.948 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.601 4.450 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.701 2.420 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.748 4.129 3.957 1.00 0.00 H new ATOM 844 N ILE A 53 12.291 2.971 6.961 1.00 0.00 N ATOM 845 CA ILE A 53 13.398 2.010 6.997 1.00 0.00 C ATOM 846 C ILE A 53 13.614 1.471 8.410 1.00 0.00 C ATOM 847 O ILE A 53 13.584 0.260 8.599 1.00 0.00 O ATOM 848 CB ILE A 53 14.666 2.669 6.430 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.481 3.000 4.926 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.911 1.778 6.613 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.524 3.980 4.371 1.00 0.00 C ATOM 0 H ILE A 53 12.582 3.902 6.663 1.00 0.00 H new ATOM 0 HA ILE A 53 13.150 1.152 6.373 1.00 0.00 H new ATOM 0 HB ILE A 53 14.825 3.590 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.526 2.074 4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.486 3.420 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.784 2.283 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.071 1.590 7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.760 0.831 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.327 4.161 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.466 4.921 4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.521 3.555 4.487 1.00 0.00 H new ATOM 863 N LYS A 54 13.741 2.336 9.426 1.00 0.00 N ATOM 864 CA LYS A 54 13.793 1.927 10.841 1.00 0.00 C ATOM 865 C LYS A 54 12.545 1.180 11.320 1.00 0.00 C ATOM 866 O LYS A 54 12.577 0.575 12.394 1.00 0.00 O ATOM 867 CB LYS A 54 14.044 3.144 11.747 1.00 0.00 C ATOM 868 CG LYS A 54 15.485 3.661 11.641 1.00 0.00 C ATOM 869 CD LYS A 54 15.827 4.499 12.883 1.00 0.00 C ATOM 870 CE LYS A 54 17.302 4.907 12.940 1.00 0.00 C ATOM 871 NZ LYS A 54 17.613 5.945 11.937 1.00 0.00 N ATOM 0 H LYS A 54 13.811 3.345 9.291 1.00 0.00 H new ATOM 0 HA LYS A 54 14.624 1.225 10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.353 3.943 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.832 2.874 12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.177 2.823 11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.600 4.264 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.207 5.395 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.578 3.930 13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.540 5.279 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.930 4.033 12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.554 6.344 12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.605 5.523 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.900 6.700 11.986 1.00 0.00 H new ATOM 885 N LYS A 55 11.458 1.203 10.539 1.00 0.00 N ATOM 886 CA LYS A 55 10.243 0.422 10.821 1.00 0.00 C ATOM 887 C LYS A 55 10.295 -0.975 10.194 1.00 0.00 C ATOM 888 O LYS A 55 9.860 -1.910 10.866 1.00 0.00 O ATOM 889 CB LYS A 55 8.972 1.210 10.433 1.00 0.00 C ATOM 890 CG LYS A 55 7.808 1.077 11.435 1.00 0.00 C ATOM 891 CD LYS A 55 7.170 -0.318 11.474 1.00 0.00 C ATOM 892 CE LYS A 55 7.651 -1.146 12.676 1.00 0.00 C ATOM 893 NZ LYS A 55 7.694 -2.600 12.371 1.00 0.00 N ATOM 0 H LYS A 55 11.394 1.765 9.690 1.00 0.00 H new ATOM 0 HA LYS A 55 10.196 0.259 11.898 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.230 2.264 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.633 0.870 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.171 1.327 12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.040 1.809 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.085 -0.218 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.406 -0.849 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.644 -0.809 12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.988 -0.973 13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.024 -3.121 13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.742 -2.929 12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.347 -2.769 11.579 1.00 0.00 H new ATOM 907 N ASN A 56 10.759 -1.110 8.942 1.00 0.00 N ATOM 908 CA ASN A 56 10.686 -2.314 8.096 1.00 0.00 C ATOM 909 C ASN A 56 9.421 -3.141 8.401 1.00 0.00 C ATOM 910 O ASN A 56 9.481 -4.216 8.997 1.00 0.00 O ATOM 911 CB ASN A 56 11.984 -3.145 8.224 1.00 0.00 C ATOM 912 CG ASN A 56 13.179 -2.691 7.399 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.315 -2.958 7.742 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.019 -2.099 6.238 1.00 0.00 N ATOM 0 H ASN A 56 11.222 -0.337 8.464 1.00 0.00 H new ATOM 0 HA ASN A 56 10.603 -2.002 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.280 -3.152 9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.755 -4.175 7.950 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.831 -1.880 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.083 -1.858 5.913 1.00 0.00 H new ATOM 921 N VAL A 57 8.240 -2.613 8.073 1.00 0.00 N ATOM 922 CA VAL A 57 6.982 -3.335 8.312 1.00 0.00 C ATOM 923 C VAL A 57 6.841 -4.488 7.337 1.00 0.00 C ATOM 924 O VAL A 57 7.012 -4.287 6.139 1.00 0.00 O ATOM 925 CB VAL A 57 5.769 -2.378 8.342 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.768 -2.500 7.198 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.018 -2.600 9.655 1.00 0.00 C ATOM 0 H VAL A 57 8.125 -1.695 7.644 1.00 0.00 H new ATOM 0 HA VAL A 57 7.010 -3.778 9.307 1.00 0.00 H new ATOM 0 HB VAL A 57 6.197 -1.381 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.966 -1.775 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.272 -2.307 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.349 -3.506 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.156 -1.934 9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.680 -3.635 9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.682 -2.390 10.494 1.00 0.00 H new ATOM 937 N LEU A 58 6.565 -5.693 7.839 1.00 0.00 N ATOM 938 CA LEU A 58 6.184 -6.797 6.967 1.00 0.00 C ATOM 939 C LEU A 58 4.780 -6.530 6.405 1.00 0.00 C ATOM 940 O LEU A 58 3.793 -6.290 7.113 1.00 0.00 O ATOM 941 CB LEU A 58 6.351 -8.159 7.663 1.00 0.00 C ATOM 942 CG LEU A 58 6.724 -9.301 6.685 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.221 -10.501 7.493 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.574 -9.795 5.814 1.00 0.00 C ATOM 0 H LEU A 58 6.598 -5.924 8.832 1.00 0.00 H new ATOM 0 HA LEU A 58 6.861 -6.854 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.124 -8.077 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.423 -8.415 8.174 1.00 0.00 H new ATOM 0 HG LEU A 58 7.480 -8.882 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.487 -11.312 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.097 -10.211 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.434 -10.836 8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.928 -10.593 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.773 -10.174 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.197 -8.972 5.207 1.00 0.00 H new ATOM 956 N TRP A 59 4.748 -6.459 5.087 1.00 0.00 N ATOM 957 CA TRP A 59 3.533 -6.383 4.289 1.00 0.00 C ATOM 958 C TRP A 59 2.746 -7.702 4.299 1.00 0.00 C ATOM 959 O TRP A 59 2.703 -8.435 3.310 1.00 0.00 O ATOM 960 CB TRP A 59 3.893 -5.876 2.889 1.00 0.00 C ATOM 961 CG TRP A 59 4.448 -4.481 2.880 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.595 -4.077 2.286 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.904 -3.303 3.548 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.782 -2.721 2.514 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.810 -2.224 3.348 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.751 -3.043 4.318 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.610 -0.960 3.923 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.531 -1.782 4.889 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.464 -0.740 4.703 1.00 0.00 C ATOM 0 H TRP A 59 5.596 -6.452 4.520 1.00 0.00 H new ATOM 0 HA TRP A 59 2.843 -5.665 4.733 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.623 -6.552 2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.003 -5.908 2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.262 -4.712 1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.540 -2.167 2.115 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.026 -3.829 4.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.327 -0.168 3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.641 -1.607 5.475 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.297 0.224 5.160 1.00 0.00 H new ATOM 980 N ASP A 60 2.109 -7.973 5.438 1.00 0.00 N ATOM 981 CA ASP A 60 1.156 -9.069 5.653 1.00 0.00 C ATOM 982 C ASP A 60 -0.259 -8.698 5.193 1.00 0.00 C ATOM 983 O ASP A 60 -0.614 -7.522 5.077 1.00 0.00 O ATOM 984 CB ASP A 60 1.066 -9.420 7.147 1.00 0.00 C ATOM 985 CG ASP A 60 2.303 -10.145 7.649 1.00 0.00 C ATOM 986 OD1 ASP A 60 2.440 -11.317 7.251 1.00 0.00 O ATOM 987 OD2 ASP A 60 3.065 -9.528 8.431 1.00 0.00 O ATOM 0 H ASP A 60 2.248 -7.410 6.277 1.00 0.00 H new ATOM 0 HA ASP A 60 1.525 -9.913 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.925 -8.506 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.189 -10.044 7.318 1.00 0.00 H new ATOM 992 N GLU A 61 -1.114 -9.720 5.051 1.00 0.00 N ATOM 993 CA GLU A 61 -2.550 -9.599 4.744 1.00 0.00 C ATOM 994 C GLU A 61 -3.315 -8.618 5.651 1.00 0.00 C ATOM 995 O GLU A 61 -4.260 -7.970 5.206 1.00 0.00 O ATOM 996 CB GLU A 61 -3.223 -10.988 4.789 1.00 0.00 C ATOM 997 CG GLU A 61 -2.997 -11.780 6.095 1.00 0.00 C ATOM 998 CD GLU A 61 -4.158 -12.715 6.473 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.321 -12.244 6.527 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.910 -13.854 6.926 1.00 0.00 O ATOM 0 H GLU A 61 -0.816 -10.690 5.150 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.601 -9.180 3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.295 -10.861 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.853 -11.582 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.087 -12.371 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.832 -11.076 6.910 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.917 -8.489 6.920 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.585 -7.703 7.945 1.00 0.00 C ATOM 1009 C ASN A 62 -2.710 -6.538 8.433 1.00 0.00 C ATOM 1010 O ASN A 62 -3.185 -5.415 8.517 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.987 -8.663 9.072 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.913 -9.803 8.661 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.949 -10.849 9.292 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.668 -9.680 7.591 1.00 0.00 N ATOM 0 H ASN A 62 -2.080 -8.954 7.271 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.478 -7.227 7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.081 -9.090 9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.474 -8.088 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.270 -10.450 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.651 -8.814 7.052 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.406 -6.732 8.647 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.531 -5.614 9.010 1.00 0.00 C ATOM 1023 C ASN A 63 -0.468 -4.523 7.909 1.00 0.00 C ATOM 1024 O ASN A 63 -0.309 -3.347 8.240 1.00 0.00 O ATOM 1025 CB ASN A 63 0.846 -6.178 9.392 1.00 0.00 C ATOM 1026 CG ASN A 63 1.736 -5.092 9.945 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.615 -4.575 9.125 1.00 0.00 O flip ATOM 1028 ND2 ASN A 63 1.635 -4.672 11.086 1.00 0.00 N flip ATOM 0 H ASN A 63 -0.939 -7.636 8.577 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.945 -5.094 9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.727 -6.969 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.315 -6.628 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.948 -5.079 11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.238 -3.914 11.406 1.00 0.00 H new ATOM 1035 N MET A 64 -0.679 -4.857 6.623 1.00 0.00 N ATOM 1036 CA MET A 64 -0.942 -3.841 5.593 1.00 0.00 C ATOM 1037 C MET A 64 -2.285 -3.124 5.803 1.00 0.00 C ATOM 1038 O MET A 64 -2.328 -1.906 5.689 1.00 0.00 O ATOM 1039 CB MET A 64 -0.897 -4.433 4.180 1.00 0.00 C ATOM 1040 CG MET A 64 -0.952 -3.322 3.122 1.00 0.00 C ATOM 1041 SD MET A 64 -1.095 -3.903 1.420 1.00 0.00 S ATOM 1042 CE MET A 64 0.518 -4.706 1.243 1.00 0.00 C ATOM 0 H MET A 64 -0.672 -5.816 6.276 1.00 0.00 H new ATOM 0 HA MET A 64 -0.142 -3.107 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.015 -5.017 4.054 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.735 -5.116 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.799 -2.672 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.052 -2.713 3.209 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.600 -5.142 0.247 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.309 -3.969 1.382 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.618 -5.491 1.992 1.00 0.00 H new ATOM 1052 N SER A 65 -3.375 -3.837 6.110 1.00 0.00 N ATOM 1053 CA SER A 65 -4.677 -3.237 6.463 1.00 0.00 C ATOM 1054 C SER A 65 -4.537 -2.224 7.604 1.00 0.00 C ATOM 1055 O SER A 65 -5.096 -1.127 7.563 1.00 0.00 O ATOM 1056 CB SER A 65 -5.676 -4.346 6.863 1.00 0.00 C ATOM 1057 OG SER A 65 -6.895 -3.836 7.342 1.00 0.00 O ATOM 0 H SER A 65 -3.383 -4.857 6.122 1.00 0.00 H new ATOM 0 HA SER A 65 -5.051 -2.707 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.868 -4.983 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.225 -4.975 7.630 1.00 0.00 H new ATOM 0 HG SER A 65 -6.909 -3.886 8.321 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.764 -2.578 8.618 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.650 -1.808 9.848 1.00 0.00 C ATOM 1065 C GLU A 66 -2.659 -0.633 9.701 1.00 0.00 C ATOM 1066 O GLU A 66 -2.924 0.444 10.236 1.00 0.00 O ATOM 1067 CB GLU A 66 -3.415 -2.816 10.985 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.769 -3.344 11.525 1.00 0.00 C ATOM 1069 CD GLU A 66 -5.708 -3.933 10.443 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.580 -5.134 10.127 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -6.527 -3.178 9.847 1.00 0.00 O ATOM 0 H GLU A 66 -3.189 -3.421 8.610 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.562 -1.269 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.811 -3.648 10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.855 -2.342 11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.572 -4.111 12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.286 -2.529 12.032 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.643 -0.740 8.828 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.985 0.426 8.208 1.00 0.00 C ATOM 1080 C TYR A 67 -1.992 1.301 7.453 1.00 0.00 C ATOM 1081 O TYR A 67 -2.101 2.491 7.733 1.00 0.00 O ATOM 1082 CB TYR A 67 0.165 -0.019 7.285 1.00 0.00 C ATOM 1083 CG TYR A 67 0.859 1.091 6.499 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.653 2.029 7.178 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.766 1.160 5.093 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.349 3.030 6.472 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.497 2.129 4.370 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.297 3.066 5.059 1.00 0.00 C ATOM 1089 OH TYR A 67 3.018 3.989 4.364 1.00 0.00 O ATOM 0 H TYR A 67 -1.254 -1.635 8.532 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.560 1.032 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.913 -0.531 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.226 -0.749 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.731 1.983 8.254 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.130 0.465 4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.923 3.770 7.010 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.444 2.153 3.292 1.00 0.00 H new ATOM 0 HH TYR A 67 2.464 4.366 3.649 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.765 0.742 6.519 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.750 1.489 5.729 1.00 0.00 C ATOM 1101 C LEU A 68 -4.863 2.138 6.568 1.00 0.00 C ATOM 1102 O LEU A 68 -5.501 3.061 6.077 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.336 0.591 4.625 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.342 0.213 3.515 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.980 -0.815 2.582 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.902 1.418 2.686 1.00 0.00 C ATOM 0 H LEU A 68 -2.725 -0.250 6.287 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.212 2.321 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.716 -0.323 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.188 1.100 4.174 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.460 -0.198 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.273 -1.081 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.244 -1.707 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.879 -0.391 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.201 1.094 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.773 1.873 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.418 2.148 3.334 1.00 0.00 H new ATOM 1118 N THR A 69 -5.072 1.731 7.823 1.00 0.00 N ATOM 1119 CA THR A 69 -5.966 2.409 8.781 1.00 0.00 C ATOM 1120 C THR A 69 -5.461 3.791 9.204 1.00 0.00 C ATOM 1121 O THR A 69 -6.250 4.733 9.272 1.00 0.00 O ATOM 1122 CB THR A 69 -6.189 1.550 10.020 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.764 0.334 9.625 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.148 2.151 11.050 1.00 0.00 C ATOM 0 H THR A 69 -4.618 0.906 8.214 1.00 0.00 H new ATOM 0 HA THR A 69 -6.910 2.553 8.255 1.00 0.00 H new ATOM 0 HB THR A 69 -5.208 1.452 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.127 -0.164 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.246 1.471 11.896 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.757 3.108 11.396 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.125 2.303 10.592 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.167 3.929 9.505 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.519 5.206 9.819 1.00 0.00 C ATOM 1134 C ASN A 70 -2.007 5.120 9.502 1.00 0.00 C ATOM 1135 O ASN A 70 -1.193 4.863 10.402 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.810 5.600 11.283 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.458 7.055 11.567 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.411 7.571 11.208 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.328 7.782 12.226 1.00 0.00 N ATOM 0 H ASN A 70 -3.525 3.137 9.538 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.929 5.999 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.865 5.434 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.242 4.953 11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.124 8.760 12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.208 7.369 12.534 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.594 5.333 8.237 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.218 5.070 7.806 1.00 0.00 C ATOM 1148 C PRO A 71 0.763 6.026 8.488 1.00 0.00 C ATOM 1149 O PRO A 71 1.894 5.666 8.814 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.241 5.236 6.279 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.408 6.196 6.040 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.406 5.776 7.113 1.00 0.00 C ATOM 0 HA PRO A 71 0.124 4.073 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.698 5.645 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.396 4.282 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.106 7.237 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.822 6.090 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.052 6.607 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.054 4.976 6.756 1.00 0.00 H new ATOM 1160 N LYS A 72 0.278 7.244 8.757 1.00 0.00 N ATOM 1161 CA LYS A 72 0.969 8.367 9.390 1.00 0.00 C ATOM 1162 C LYS A 72 1.273 8.155 10.876 1.00 0.00 C ATOM 1163 O LYS A 72 2.199 8.779 11.385 1.00 0.00 O ATOM 1164 CB LYS A 72 0.105 9.623 9.176 1.00 0.00 C ATOM 1165 CG LYS A 72 0.948 10.880 8.909 1.00 0.00 C ATOM 1166 CD LYS A 72 0.084 12.140 8.705 1.00 0.00 C ATOM 1167 CE LYS A 72 -1.046 11.970 7.675 1.00 0.00 C ATOM 1168 NZ LYS A 72 -0.546 11.587 6.333 1.00 0.00 N ATOM 0 H LYS A 72 -0.684 7.486 8.518 1.00 0.00 H new ATOM 0 HA LYS A 72 1.948 8.473 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.570 9.457 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.516 9.787 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.628 11.042 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.564 10.719 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.352 12.427 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.728 12.961 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.743 11.210 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.604 12.903 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.747 12.351 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.480 11.426 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.020 10.715 6.022 1.00 0.00 H new ATOM 1182 N LYS A 73 0.509 7.306 11.577 1.00 0.00 N ATOM 1183 CA LYS A 73 0.806 6.889 12.955 1.00 0.00 C ATOM 1184 C LYS A 73 1.822 5.751 12.993 1.00 0.00 C ATOM 1185 O LYS A 73 2.715 5.802 13.830 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.488 6.524 13.705 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.193 5.909 15.088 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.391 5.936 16.048 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.602 7.308 16.708 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.488 7.665 17.628 1.00 0.00 N ATOM 0 H LYS A 73 -0.340 6.885 11.200 1.00 0.00 H new ATOM 0 HA LYS A 73 1.262 7.735 13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.102 7.417 13.827 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.067 5.818 13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.130 4.877 14.954 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.638 6.447 15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.293 5.659 15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.245 5.185 16.824 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.692 8.071 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.541 7.303 17.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.786 8.446 18.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.239 6.839 18.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.340 7.960 17.072 1.00 0.00 H new ATOM 1204 N TYR A 74 1.654 4.716 12.167 1.00 0.00 N ATOM 1205 CA TYR A 74 2.500 3.512 12.226 1.00 0.00 C ATOM 1206 C TYR A 74 3.935 3.784 11.742 1.00 0.00 C ATOM 1207 O TYR A 74 4.897 3.306 12.340 1.00 0.00 O ATOM 1208 CB TYR A 74 1.838 2.387 11.414 1.00 0.00 C ATOM 1209 CG TYR A 74 2.256 0.947 11.710 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.253 0.608 12.652 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.579 -0.090 11.038 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.571 -0.740 12.902 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.894 -1.438 11.278 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.899 -1.767 12.214 1.00 0.00 C ATOM 1215 OH TYR A 74 3.235 -3.063 12.448 1.00 0.00 O ATOM 0 H TYR A 74 0.936 4.684 11.443 1.00 0.00 H new ATOM 0 HA TYR A 74 2.585 3.202 13.268 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.760 2.459 11.561 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.029 2.580 10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.775 1.389 13.184 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.805 0.156 10.326 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.334 -0.987 13.625 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.370 -2.220 10.749 1.00 0.00 H new ATOM 0 HH TYR A 74 3.554 -3.157 13.370 1.00 0.00 H new ATOM 1225 N ILE A 75 4.077 4.584 10.684 1.00 0.00 N ATOM 1226 CA ILE A 75 5.356 5.151 10.247 1.00 0.00 C ATOM 1227 C ILE A 75 5.303 6.676 10.483 1.00 0.00 C ATOM 1228 O ILE A 75 4.906 7.425 9.584 1.00 0.00 O ATOM 1229 CB ILE A 75 5.689 4.730 8.799 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.742 3.192 8.632 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.057 5.327 8.414 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.948 2.714 7.188 1.00 0.00 C ATOM 0 H ILE A 75 3.292 4.862 10.095 1.00 0.00 H new ATOM 0 HA ILE A 75 6.187 4.757 10.832 1.00 0.00 H new ATOM 0 HB ILE A 75 4.898 5.104 8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.550 2.800 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.814 2.766 9.013 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.306 5.038 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.012 6.414 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.822 4.952 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.973 1.625 7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.127 3.071 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.891 3.106 6.806 1.00 0.00 H new ATOM 1244 N PRO A 76 5.652 7.157 11.695 1.00 0.00 N ATOM 1245 CA PRO A 76 5.575 8.572 12.055 1.00 0.00 C ATOM 1246 C PRO A 76 6.570 9.404 11.240 1.00 0.00 C ATOM 1247 O PRO A 76 7.780 9.300 11.421 1.00 0.00 O ATOM 1248 CB PRO A 76 5.834 8.636 13.564 1.00 0.00 C ATOM 1249 CG PRO A 76 6.691 7.401 13.832 1.00 0.00 C ATOM 1250 CD PRO A 76 6.155 6.385 12.827 1.00 0.00 C ATOM 0 HA PRO A 76 4.600 9.001 11.824 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.353 9.553 13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.904 8.610 14.132 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.750 7.603 13.675 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.582 7.049 14.858 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.940 5.698 12.511 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.362 5.781 13.269 1.00 0.00 H new ATOM 1258 N GLY A 77 6.053 10.217 10.314 1.00 0.00 N ATOM 1259 CA GLY A 77 6.862 10.990 9.361 1.00 0.00 C ATOM 1260 C GLY A 77 7.051 10.327 7.990 1.00 0.00 C ATOM 1261 O GLY A 77 7.826 10.825 7.178 1.00 0.00 O ATOM 0 H GLY A 77 5.049 10.360 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.395 11.964 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.843 11.169 9.801 1.00 0.00 H new ATOM 1265 N THR A 78 6.349 9.223 7.704 1.00 0.00 N ATOM 1266 CA THR A 78 6.277 8.595 6.369 1.00 0.00 C ATOM 1267 C THR A 78 6.028 9.606 5.247 1.00 0.00 C ATOM 1268 O THR A 78 5.240 10.537 5.426 1.00 0.00 O ATOM 1269 CB THR A 78 5.161 7.535 6.352 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.128 6.824 5.134 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.740 8.054 6.595 1.00 0.00 C ATOM 0 H THR A 78 5.801 8.727 8.407 1.00 0.00 H new ATOM 0 HA THR A 78 7.248 8.136 6.184 1.00 0.00 H new ATOM 0 HB THR A 78 5.435 6.900 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.408 6.160 5.162 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.038 7.221 6.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.689 8.531 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.481 8.779 5.824 1.00 0.00 H new ATOM 1279 N LYS A 79 6.566 9.367 4.039 1.00 0.00 N ATOM 1280 CA LYS A 79 6.123 10.125 2.854 1.00 0.00 C ATOM 1281 C LYS A 79 4.636 9.899 2.539 1.00 0.00 C ATOM 1282 O LYS A 79 4.072 10.709 1.811 1.00 0.00 O ATOM 1283 CB LYS A 79 6.901 9.781 1.573 1.00 0.00 C ATOM 1284 CG LYS A 79 8.338 10.267 1.348 1.00 0.00 C ATOM 1285 CD LYS A 79 8.573 10.324 -0.181 1.00 0.00 C ATOM 1286 CE LYS A 79 10.033 10.249 -0.626 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.568 8.888 -0.431 1.00 0.00 N ATOM 0 H LYS A 79 7.291 8.673 3.858 1.00 0.00 H new ATOM 0 HA LYS A 79 6.312 11.163 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.920 8.694 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.308 10.149 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.485 11.250 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.050 9.591 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.027 9.503 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.142 11.250 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.113 10.530 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.629 10.964 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.420 8.763 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.811 8.751 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.850 8.189 -0.712 1.00 0.00 H new ATOM 1301 N MET A 80 3.982 8.831 3.024 1.00 0.00 N ATOM 1302 CA MET A 80 2.581 8.529 2.724 1.00 0.00 C ATOM 1303 C MET A 80 1.633 9.580 3.334 1.00 0.00 C ATOM 1304 O MET A 80 1.050 9.411 4.407 1.00 0.00 O ATOM 1305 CB MET A 80 2.263 7.069 3.091 1.00 0.00 C ATOM 1306 CG MET A 80 0.834 6.697 2.682 1.00 0.00 C ATOM 1307 SD MET A 80 0.569 4.998 2.065 1.00 0.00 S ATOM 1308 CE MET A 80 -1.212 4.843 2.311 1.00 0.00 C ATOM 0 H MET A 80 4.420 8.148 3.642 1.00 0.00 H new ATOM 0 HA MET A 80 2.408 8.607 1.651 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.971 6.404 2.597 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.387 6.925 4.164 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.183 6.851 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.510 7.394 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.586 3.995 1.737 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.421 4.685 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.706 5.755 1.976 1.00 0.00 H new ATOM 1318 N ALA A 81 1.471 10.695 2.618 1.00 0.00 N ATOM 1319 CA ALA A 81 0.715 11.870 3.043 1.00 0.00 C ATOM 1320 C ALA A 81 -0.799 11.658 3.155 1.00 0.00 C ATOM 1321 O ALA A 81 -1.496 12.456 3.776 1.00 0.00 O ATOM 1322 CB ALA A 81 1.066 13.045 2.125 1.00 0.00 C ATOM 0 H ALA A 81 1.880 10.806 1.690 1.00 0.00 H new ATOM 0 HA ALA A 81 1.017 12.090 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.506 13.928 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.134 13.251 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.807 12.793 1.097 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.256 10.514 2.669 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.608 9.958 2.771 1.00 0.00 C ATOM 1330 C PHE A 82 -3.108 9.846 4.228 1.00 0.00 C ATOM 1331 O PHE A 82 -2.316 9.805 5.175 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.598 8.591 2.067 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.957 7.935 1.910 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.922 8.506 1.059 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.254 6.741 2.595 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.176 7.887 0.903 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.499 6.112 2.421 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.465 6.692 1.583 1.00 0.00 C ATOM 0 H PHE A 82 -0.640 9.892 2.146 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.312 10.635 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.155 8.713 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.949 7.917 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.700 9.419 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.521 6.306 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.919 8.332 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.712 5.184 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.429 6.220 1.461 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.432 9.798 4.414 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.070 9.809 5.740 1.00 0.00 C ATOM 1350 C GLY A 83 -5.254 8.422 6.364 1.00 0.00 C ATOM 1351 O GLY A 83 -4.961 8.238 7.542 1.00 0.00 O ATOM 0 H GLY A 83 -5.098 9.750 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.470 10.421 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.045 10.289 5.657 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.701 7.459 5.551 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.014 6.079 5.931 1.00 0.00 C ATOM 1357 C GLY A 84 -7.444 5.665 5.546 1.00 0.00 C ATOM 1358 O GLY A 84 -8.399 6.421 5.727 1.00 0.00 O ATOM 0 H GLY A 84 -5.862 7.631 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.304 5.405 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.885 5.965 7.007 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.630 4.446 5.037 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.933 3.851 4.719 1.00 0.00 C ATOM 1364 C LEU A 85 -9.629 3.392 6.012 1.00 0.00 C ATOM 1365 O LEU A 85 -9.561 2.231 6.419 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.749 2.671 3.749 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.361 3.000 2.299 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.274 1.692 1.509 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.363 3.919 1.597 1.00 0.00 C ATOM 0 H LEU A 85 -6.851 3.822 4.827 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.562 4.598 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.984 2.013 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.680 2.104 3.728 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.407 3.525 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.999 1.908 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.520 1.046 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.241 1.190 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.028 4.111 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.342 3.440 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.434 4.862 2.139 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.306 4.323 6.690 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.869 4.144 8.043 1.00 0.00 C ATOM 1383 C LYS A 86 -11.826 2.945 8.240 1.00 0.00 C ATOM 1384 O LYS A 86 -11.971 2.499 9.376 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.526 5.474 8.462 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.719 5.599 9.981 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.281 6.976 10.358 1.00 0.00 C ATOM 1388 CE LYS A 86 -12.350 7.111 11.884 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.869 8.440 12.297 1.00 0.00 N ATOM 0 H LYS A 86 -10.486 5.251 6.307 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.035 3.881 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.911 6.303 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.494 5.565 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.396 4.819 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.766 5.442 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.650 7.762 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.274 7.103 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.991 6.328 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.357 6.961 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.901 8.493 13.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.243 9.186 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.827 8.573 11.914 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.477 2.413 7.192 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.451 1.305 7.293 1.00 0.00 C ATOM 1405 C LYS A 87 -12.882 -0.047 6.867 1.00 0.00 C ATOM 1406 O LYS A 87 -12.112 -0.157 5.919 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.716 1.577 6.462 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.598 2.697 7.034 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.048 2.586 6.523 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.045 2.016 7.551 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.690 0.668 8.065 1.00 0.00 N ATOM 0 H LYS A 87 -12.342 2.743 6.236 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.700 1.256 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.423 1.840 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.303 0.661 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.589 2.649 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.185 3.666 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.388 3.575 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.060 1.954 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.116 2.706 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.033 1.969 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.486 0.285 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.485 0.035 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.851 0.739 8.675 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.382 -1.082 7.524 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.144 -2.500 7.244 1.00 0.00 C ATOM 1427 C GLU A 88 -13.472 -2.914 5.797 1.00 0.00 C ATOM 1428 O GLU A 88 -12.602 -3.441 5.117 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.893 -3.344 8.297 1.00 0.00 C ATOM 1430 CG GLU A 88 -15.435 -3.354 8.269 1.00 0.00 C ATOM 1431 CD GLU A 88 -16.049 -1.954 8.133 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -15.810 -1.059 8.975 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -16.706 -1.664 7.111 1.00 0.00 O ATOM 0 H GLU A 88 -14.006 -0.951 8.320 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.074 -2.690 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.553 -4.375 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.581 -2.998 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.772 -3.973 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.805 -3.818 9.183 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.690 -2.653 5.300 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.165 -3.047 3.963 1.00 0.00 C ATOM 1442 C LYS A 89 -14.254 -2.534 2.847 1.00 0.00 C ATOM 1443 O LYS A 89 -13.769 -3.334 2.057 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.601 -2.552 3.759 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.642 -3.169 4.708 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.539 -4.248 4.094 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.594 -4.619 5.149 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.606 -5.576 4.637 1.00 0.00 N ATOM 0 H LYS A 89 -15.395 -2.145 5.834 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.143 -4.135 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.617 -1.469 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.899 -2.761 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.119 -3.599 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.276 -2.370 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.016 -3.880 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.952 -5.122 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.097 -5.052 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.096 -3.713 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.292 -5.791 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.102 -5.155 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.134 -6.453 4.337 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.997 -1.226 2.856 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.099 -0.522 1.927 1.00 0.00 C ATOM 1464 C ASP A 90 -11.716 -1.195 1.903 1.00 0.00 C ATOM 1465 O ASP A 90 -11.311 -1.709 0.867 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.034 0.976 2.292 1.00 0.00 C ATOM 1467 CG ASP A 90 -12.522 1.866 1.145 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -11.603 1.444 0.417 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.025 3.008 1.010 1.00 0.00 O ATOM 0 H ASP A 90 -14.424 -0.598 3.537 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.493 -0.587 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.028 1.313 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.384 1.103 3.158 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.044 -1.341 3.056 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.770 -2.090 3.138 1.00 0.00 C ATOM 1476 C ARG A 91 -9.861 -3.553 2.705 1.00 0.00 C ATOM 1477 O ARG A 91 -8.934 -4.029 2.062 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.159 -2.016 4.542 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.777 -0.573 4.882 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.745 -0.464 6.004 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.063 -1.293 7.175 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.901 -1.065 8.159 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -9.762 -0.092 8.122 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.863 -1.809 9.225 1.00 0.00 N ATOM 0 H ARG A 91 -11.357 -0.953 3.946 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.121 -1.589 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.871 -2.393 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.277 -2.655 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.383 -0.090 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.675 -0.026 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.768 -0.754 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.668 0.578 6.316 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.557 -2.177 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.801 0.524 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.398 0.056 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.184 -2.567 9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.513 -1.635 9.992 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.906 -4.295 3.070 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.078 -5.692 2.673 1.00 0.00 C ATOM 1500 C ASN A 92 -11.213 -5.827 1.146 1.00 0.00 C ATOM 1501 O ASN A 92 -10.468 -6.599 0.548 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.253 -6.338 3.435 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.057 -6.520 4.933 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.988 -6.443 5.715 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -10.872 -6.845 5.398 1.00 0.00 N ATOM 0 H ASN A 92 -11.663 -3.941 3.654 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.179 -6.243 2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.142 -5.728 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.453 -7.314 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.747 -7.026 6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.077 -6.916 4.763 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.081 -5.052 0.497 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.161 -4.953 -0.965 1.00 0.00 C ATOM 1514 C ASP A 93 -10.834 -4.490 -1.604 1.00 0.00 C ATOM 1515 O ASP A 93 -10.361 -5.120 -2.554 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.305 -4.009 -1.360 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.665 -4.708 -1.378 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.841 -5.670 -2.166 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.632 -4.227 -0.742 1.00 0.00 O ATOM 0 H ASP A 93 -12.761 -4.464 0.978 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.360 -5.954 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.339 -3.173 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.102 -3.591 -2.346 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.206 -3.430 -1.076 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.912 -2.903 -1.543 1.00 0.00 C ATOM 1526 C LEU A 94 -7.829 -3.989 -1.503 1.00 0.00 C ATOM 1527 O LEU A 94 -7.122 -4.202 -2.483 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.487 -1.676 -0.702 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.638 -0.600 -1.400 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.471 -1.128 -2.229 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.500 0.273 -2.308 1.00 0.00 C ATOM 0 H LEU A 94 -10.591 -2.901 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.031 -2.585 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.390 -1.199 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.930 -2.037 0.162 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.214 -0.029 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.936 -0.291 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.792 -1.689 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.849 -1.782 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.875 1.025 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.971 -0.348 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.270 0.766 -1.715 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.720 -4.723 -0.394 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.770 -5.828 -0.218 1.00 0.00 C ATOM 1545 C ILE A 95 -7.131 -7.008 -1.119 1.00 0.00 C ATOM 1546 O ILE A 95 -6.222 -7.597 -1.700 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.673 -6.211 1.275 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -5.944 -5.060 2.007 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.920 -7.532 1.521 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.109 -5.106 3.521 1.00 0.00 C ATOM 0 H ILE A 95 -8.303 -4.563 0.428 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.777 -5.504 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.685 -6.363 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.882 -5.099 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.321 -4.107 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.890 -7.740 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.434 -8.345 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.903 -7.448 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.573 -4.271 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.167 -5.037 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.706 -6.044 3.903 1.00 0.00 H new ATOM 1562 N THR A 96 -8.419 -7.330 -1.297 1.00 0.00 N ATOM 1563 CA THR A 96 -8.875 -8.385 -2.223 1.00 0.00 C ATOM 1564 C THR A 96 -8.424 -8.096 -3.660 1.00 0.00 C ATOM 1565 O THR A 96 -8.094 -9.020 -4.400 1.00 0.00 O ATOM 1566 CB THR A 96 -10.405 -8.589 -2.187 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.888 -8.785 -0.878 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.837 -9.857 -2.927 1.00 0.00 C ATOM 0 H THR A 96 -9.181 -6.866 -0.802 1.00 0.00 H new ATOM 0 HA THR A 96 -8.410 -9.309 -1.880 1.00 0.00 H new ATOM 0 HB THR A 96 -10.802 -7.683 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.030 -7.916 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.921 -9.958 -2.874 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.529 -9.792 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.369 -10.726 -2.464 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.353 -6.819 -4.052 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.667 -6.387 -5.274 1.00 0.00 C ATOM 1578 C TYR A 97 -6.142 -6.505 -5.197 1.00 0.00 C ATOM 1579 O TYR A 97 -5.560 -7.213 -6.011 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.073 -4.952 -5.604 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.203 -4.260 -6.633 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.260 -4.662 -7.980 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.314 -3.242 -6.236 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.476 -4.006 -8.943 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.503 -2.606 -7.195 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.609 -2.967 -8.554 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.882 -2.320 -9.496 1.00 0.00 O ATOM 0 H TYR A 97 -8.773 -6.052 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.979 -7.064 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.102 -4.955 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.058 -4.366 -4.685 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.907 -5.475 -8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.255 -2.950 -5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.538 -4.298 -9.981 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.801 -1.843 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.767 -1.383 -9.234 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.488 -5.794 -4.272 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.031 -5.572 -4.285 1.00 0.00 C ATOM 1599 C LEU A 98 -3.219 -6.862 -4.183 1.00 0.00 C ATOM 1600 O LEU A 98 -2.152 -6.966 -4.777 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.648 -4.613 -3.147 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.709 -3.477 -3.608 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.070 -2.176 -2.902 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.242 -3.779 -3.311 1.00 0.00 C ATOM 0 H LEU A 98 -5.957 -5.350 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.785 -5.133 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.554 -4.179 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.163 -5.178 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.840 -3.387 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.401 -1.383 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.099 -1.906 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.969 -2.307 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.623 -2.950 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.108 -3.912 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.946 -4.691 -3.829 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.798 -7.859 -3.512 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.441 -9.279 -3.600 1.00 0.00 C ATOM 1618 C LYS A 99 -3.215 -9.699 -5.059 1.00 0.00 C ATOM 1619 O LYS A 99 -2.085 -9.989 -5.439 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.547 -10.087 -2.890 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.442 -11.620 -2.947 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.202 -12.198 -2.250 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.431 -13.698 -2.008 1.00 0.00 C ATOM 1624 NZ LYS A 99 -2.174 -14.418 -1.700 1.00 0.00 N ATOM 0 H LYS A 99 -4.565 -7.692 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.494 -9.478 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.564 -9.788 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.506 -9.798 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.334 -12.050 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.436 -11.933 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.316 -12.045 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.026 -11.685 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.132 -13.827 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.893 -14.140 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.288 -15.427 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.399 -14.022 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.951 -14.311 -0.690 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.264 -9.661 -5.888 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.246 -10.059 -7.308 1.00 0.00 C ATOM 1640 C LYS A 100 -3.727 -9.027 -8.315 1.00 0.00 C ATOM 1641 O LYS A 100 -3.783 -9.199 -9.530 1.00 0.00 O ATOM 1642 CB LYS A 100 -5.614 -10.628 -7.720 1.00 0.00 C ATOM 1643 CG LYS A 100 -5.234 -11.912 -8.459 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.196 -12.832 -9.195 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.203 -13.918 -9.667 1.00 0.00 C ATOM 1646 NZ LYS A 100 -5.683 -14.729 -10.801 1.00 0.00 N ATOM 0 H LYS A 100 -5.183 -9.342 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.483 -10.836 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.246 -10.830 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.163 -9.939 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.484 -11.619 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.731 -12.539 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.974 -13.231 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.698 -12.335 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.266 -13.438 -9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.982 -14.580 -8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.960 -15.432 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.561 -15.217 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.867 -14.111 -11.617 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.221 -7.938 -7.772 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.269 -7.045 -8.426 1.00 0.00 C ATOM 1662 C ALA A 101 -0.791 -7.494 -8.269 1.00 0.00 C ATOM 1663 O ALA A 101 0.092 -6.896 -8.889 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.532 -5.615 -7.942 1.00 0.00 C ATOM 0 H ALA A 101 -3.466 -7.634 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.429 -7.085 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.829 -4.934 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.551 -5.325 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.404 -5.568 -6.861 1.00 0.00 H new ATOM 1670 N THR A 102 -0.517 -8.553 -7.487 1.00 0.00 N ATOM 1671 CA THR A 102 0.831 -9.133 -7.287 1.00 0.00 C ATOM 1672 C THR A 102 0.963 -10.613 -7.708 1.00 0.00 C ATOM 1673 O THR A 102 2.080 -11.054 -7.969 1.00 0.00 O ATOM 1674 CB THR A 102 1.355 -8.921 -5.851 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.646 -9.633 -4.856 1.00 0.00 O ATOM 1676 CG2 THR A 102 1.312 -7.455 -5.417 1.00 0.00 C ATOM 0 H THR A 102 -1.241 -9.044 -6.962 1.00 0.00 H new ATOM 0 HA THR A 102 1.466 -8.571 -7.972 1.00 0.00 H new ATOM 0 HB THR A 102 2.377 -9.294 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.290 -9.733 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.692 -7.366 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.929 -6.858 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.284 -7.095 -5.453 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.141 -11.369 -7.840 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.190 -12.825 -8.161 1.00 0.00 C ATOM 1686 C GLU A 103 -1.426 -13.251 -8.983 1.00 0.00 C ATOM 1687 O GLU A 103 -1.405 -14.320 -9.635 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.099 -13.652 -6.858 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.149 -13.260 -5.804 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.224 -14.236 -4.621 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -0.364 -14.203 -3.707 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -2.279 -14.890 -4.432 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.421 -12.501 -8.945 1.00 0.00 O ATOM 0 H GLU A 103 -1.073 -10.972 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 103 0.670 -13.026 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.216 -14.708 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.896 -13.531 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.920 -12.263 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.128 -13.204 -6.281 1.00 0.00 H new